[5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol

C10H12F2O3 — CID 84683414

IUPAC[5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol
SMILESCOc1cc(C(F)F)cc(CO)c1OC
InChIInChI=1S/C10H12F2O3/c1-14-8-4-6(10(11)12)3-7(5-13)9(8)15-2/h3-4,10,13H,5H2,1-2H3
InChIKeyNYDTXSUCXQTBJN-UHFFFAOYSA-N
MW218.20 g/mol
LogP2.13
Rot. Bonds4

About [5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol

[5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol (PubChem CID 84683414) has the molecular formula C10H12F2O3 and a molecular weight of 218.20 g/mol. Its IUPAC name is [5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol
PubChem CID84683414
Molecular FormulaC10H12F2O3
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name[5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol
SMILESCOc1cc(C(F)F)cc(CO)c1OC
InChIInChI=1S/C10H12F2O3/c1-14-8-4-6(10(11)12)3-7(5-13)9(8)15-2/h3-4,10,13H,5H2,1-2H3
InChIKeyNYDTXSUCXQTBJN-UHFFFAOYSA-N
XLogP2.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol
CID 84705649
(5-ethenyl-2,3-dimethoxyphenyl)methanol
CID 170419069
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117391659
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754
(5-fluoro-2-methoxy-3-methylphenyl)methanol
CID 84653739
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076
[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681962
[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
CID 154087943
[6-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]methanol
CID 118831655
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol?
The IUPAC name of [5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol (CID 84683414) is [5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol is COc1cc(C(F)F)cc(CO)c1OC.
What is the InChIKey of [5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol?
The InChIKey is NYDTXSUCXQTBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3/c1-14-8-4-6(10(11)12)3-7(5-13)9(8)15-2/h3-4,10,13H,5H2,1-2H3.
What are the key properties of [5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol?
[5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol has a molecular weight of 218.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol is sourced from PubChem (CID 84683414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).